[3-[4-(1-ethyl-5-methyl-4-phenylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone;[4-[4-(1-ethyl-5-methyl-4-phenylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone

C68H62F6N8O2S2 — CID 87459999

IUPAC[3-[4-(1-ethyl-5-methyl-4-phenylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone;[4-[4-(1-ethyl-5-methyl-4-phenylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone
SMILESCCn1c(-c2csc(C3CCCN(C(=O)c4ccccc4-c4ccc(C(F)(F)F)cc4)C3)n2)nc(-c2ccccc2)c1C.CCn1c(-c2csc(C3CCN(C(=O)c4ccccc4-c4ccc(C(F)(F)F)cc4)CC3)n2)nc(-c2ccccc2)c1C
InChIInChI=1S/2C34H31F3N4OS/c1-3-41-22(2)30(24-10-5-4-6-11-24)39-31(41)29-21-43-32(38-29)25-12-9-19-40(20-25)33(42)28-14-8-7-13-27(28)23-15-17-26(18-16-23)34(35,36)37;1-3-41-22(2)30(24-9-5-4-6-10-24)39-31(41)29-21-43-32(38-29)25-17-19-40(20-18-25)33(42)28-12-8-7-11-27(28)23-13-15-26(16-14-23)34(35,36)37/h4-8,10-11,13-18,21,25H,3,9,12,19-20H2,1-2H3;4-16,21,25H,3,17-20H2,1-2H3
InChIKeyIBOOKTCTRFBIRL-UHFFFAOYSA-N
MW1201.42 g/mol
LogP17.42
Rot. Bonds12

About [3-[4-(1-ethyl-5-methyl-4-phenylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone;[4-[4-(1-ethyl-5-methyl-4-phenylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone

[3-[4-(1-ethyl-5-methyl-4-phenylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone;[4-[4-(1-ethyl-5-methyl-4-phenylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone (PubChem CID 87459999) has the molecular formula C68H62F6N8O2S2 and a molecular weight of 1201.42 g/mol. Its IUPAC name is [3-[4-(1-ethyl-5-methyl-4-phenylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone;[4-[4-(1-ethyl-5-methyl-4-phenylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone.

Molecular Properties

Compound Name[3-[4-(1-ethyl-5-methyl-4-phenylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone;[4-[4-(1-ethyl-5-methyl-4-phenylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone
PubChem CID87459999
Molecular FormulaC68H62F6N8O2S2
Molecular Weight1201.42 g/mol
Exact Mass1200.43
IUPAC Name[3-[4-(1-ethyl-5-methyl-4-phenylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone;[4-[4-(1-ethyl-5-methyl-4-phenylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone
SMILESCCn1c(-c2csc(C3CCCN(C(=O)c4ccccc4-c4ccc(C(F)(F)F)cc4)C3)n2)nc(-c2ccccc2)c1C.CCn1c(-c2csc(C3CCN(C(=O)c4ccccc4-c4ccc(C(F)(F)F)cc4)CC3)n2)nc(-c2ccccc2)c1C
InChIInChI=1S/2C34H31F3N4OS/c1-3-41-22(2)30(24-10-5-4-6-11-24)39-31(41)29-21-43-32(38-29)25-12-9-19-40(20-25)33(42)28-14-8-7-13-27(28)23-15-17-26(18-16-23)34(35,36)37;1-3-41-22(2)30(24-9-5-4-6-10-24)39-31(41)29-21-43-32(38-29)25-17-19-40(20-18-25)33(42)28-12-8-7-11-27(28)23-13-15-26(16-14-23)34(35,36)37/h4-8,10-11,13-18,21,25H,3,9,12,19-20H2,1-2H3;4-16,21,25H,3,17-20H2,1-2H3
InChIKeyIBOOKTCTRFBIRL-UHFFFAOYSA-N
XLogP17.42
TPSA102.04 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001201.42
LogP ≤ 517.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze [3-[4-(1-ethyl-5-methyl-4-phenylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone;[4-[4-(1-ethyl-5-methyl-4-phenylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[4-(1-ethyl-5-methyl-4-phenylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone;[4-[4-(1-ethyl-5-methyl-4-phenylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone?
The IUPAC name of [3-[4-(1-ethyl-5-methyl-4-phenylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone;[4-[4-(1-ethyl-5-methyl-4-phenylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone (CID 87459999) is [3-[4-(1-ethyl-5-methyl-4-phenylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone;[4-[4-(1-ethyl-5-methyl-4-phenylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone.
What is the SMILES notation for [3-[4-(1-ethyl-5-methyl-4-phenylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone;[4-[4-(1-ethyl-5-methyl-4-phenylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone?
The canonical SMILES for [3-[4-(1-ethyl-5-methyl-4-phenylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone;[4-[4-(1-ethyl-5-methyl-4-phenylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone is CCn1c(-c2csc(C3CCCN(C(=O)c4ccccc4-c4ccc(C(F)(F)F)cc4)C3)n2)nc(-c2ccccc2)c1C.CCn1c(-c2csc(C3CCN(C(=O)c4ccccc4-c4ccc(C(F)(F)F)cc4)CC3)n2)nc(-c2ccccc2)c1C.
What is the InChIKey of [3-[4-(1-ethyl-5-methyl-4-phenylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone;[4-[4-(1-ethyl-5-methyl-4-phenylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone?
The InChIKey is IBOOKTCTRFBIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C34H31F3N4OS/c1-3-41-22(2)30(24-10-5-4-6-11-24)39-31(41)29-21-43-32(38-29)25-12-9-19-40(20-25)33(42)28-14-8-7-13-27(28)23-15-17-26(18-16-23)34(35,36)37;1-3-41-22(2)30(24-9-5-4-6-10-24)39-31(41)29-21-43-32(38-29)25-17-19-40(20-18-25)33(42)28-12-8-7-11-27(28)23-13-15-26(16-14-23)34(35,36)37/h4-8,10-11,13-18,21,25H,3,9,12,19-20H2,1-2H3;4-16,21,25H,3,17-20H2,1-2H3.
What are the key properties of [3-[4-(1-ethyl-5-methyl-4-phenylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone;[4-[4-(1-ethyl-5-methyl-4-phenylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone?
[3-[4-(1-ethyl-5-methyl-4-phenylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone;[4-[4-(1-ethyl-5-methyl-4-phenylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone has a molecular weight of 1201.42 g/mol, XLogP of 17.42, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(1-ethyl-5-methyl-4-phenylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone;[4-[4-(1-ethyl-5-methyl-4-phenylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone is sourced from PubChem (CID 87459999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).